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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50085196'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Polyunsaturated fatty acid 5-lipoxygenase


(Homo sapiens (Human))
BDBM50085196
PNG
(CHEMBL346031 | {Cycloheptyl-[4-(quinolin-2-ylmetho...)
Show SMILES OC(=O)\C=N\OC(C1CCCCCC1)c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H28N2O4/c29-25(30)17-27-32-26(20-8-3-1-2-4-9-20)21-12-15-23(16-13-21)31-18-22-14-11-19-7-5-6-10-24(19)28-22/h5-7,10-17,20,26H,1-4,8-9,18H2,(H,29,30)/b27-17+
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PubMed
n/an/a 18n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of calcium ionophore (A-23187)-stimulated LTB4 formation in human neutrophil assay


J Med Chem 43: 690-705 (2000)


BindingDB Entry DOI: 10.7270/Q2HD7WCR
More data for this
Ligand-Target Pair